2-Nitrodibenzothiophene(6639-36-7) IR2
Product Name2-Nitrodibenzothiophene
CAS6639-36-7
Molecular FormulaC12H7NO2S
Molecular Weight229.25
InChIInChI=1S/C12H7NO2S/c14-13(15)8-5-6-12-10(7-8)9-3-1-2-4-11(9)16-12/h1-7H
InChIKey GXLYVLHWXVRVKI-UHFFFAOYSA-N
SmilesC12=CC=C([N+]([O-])=O)C=C1C1=CC=CC=C1S2
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MassMS-IW-1065 2-nitrodibenzothiophene C12H7NO2S (Mass of molecular ion: 229)
Source Temperature: 160 °C Sample Temperature: 110 °C Direct, 75 eV
63.0 1.3 69.0 1.4 89.0 1.6 91.0 5.3 91.5 2.0 113.0 1.8 127.0 1.0 137.0 1.8 138.0 5.2 139.0 35.3 140.0 4.4 171.0 7.9 172.0 1.1 182.0 6.2 183.0 45.6 184.0 6.8 185.0 2.4 199.0 8.2 200.0 1.2 229.0 100.0 230.0 14.4 231.0 5.7
KBr disc
nujol mull
